7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester - CAS 892874-55-4
Catalog: |
BB039417 |
Product Name: |
7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester |
CAS: |
892874-55-4 |
Synonyms: |
diethyl 7-chloroquinoline-2,3-dicarboxylate |
IUPAC Name: | diethyl 7-chloroquinoline-2,3-dicarboxylate |
Description: | 7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester (CAS# 892874-55-4) is a useful research chemical. |
Molecular Weight: | 307.73 |
Molecular Formula: | C15H14ClNO4 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C(=O)OCC |
InChI: | InChI=1S/C15H14ClNO4/c1-3-20-14(18)11-7-9-5-6-10(16)8-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3 |
InChI Key: | JQWWQBNHGCCJHZ-UHFFFAOYSA-N |
Boiling Point: | 399.1 ℃ at 760 mmHg |
Density: | 1.295 g/cm3 |
LogP: | 3.24160 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.0611356 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.0611356 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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